CID 352144

4-(4,5-diphenyl-1h-imidazol-2-yl)phenol [for biochemical research]

Structural Information

Molecular Formula
C21H16N2O
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C21H16N2O/c24-18-13-11-17(12-14-18)21-22-19(15-7-3-1-4-8-15)20(23-21)16-9-5-2-6-10-16/h1-14,24H,(H,22,23)
InChIKey
JMBUODONIOAHPZ-UHFFFAOYSA-N
Compound name
4-(4,5-diphenyl-1H-imidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

590
Patents

312.12625 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13353 173.3
[M+Na]+ 335.11547 181.1
[M-H]- 311.11897 181.3
[M+NH4]+ 330.16007 184.8
[M+K]+ 351.08941 172.9
[M+H-H2O]+ 295.12351 162.9
[M+HCOO]- 357.12445 193.1
[M+CH3COO]- 371.14010 183.6
[M+Na-2H]- 333.10092 176.5
[M]+ 312.12570 170.1
[M]- 312.12680 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe